(5Z)-5-[(6-methoxyquinolin-2-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one

C19H14N4O2S — CID 136892719

IUPAC(5Z)-5-[(6-methoxyquinolin-2-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESCOc1ccc2nc(/C=C3\SC(=Nc4ccccn4)NC3=O)ccc2c1
InChIInChI=1S/C19H14N4O2S/c1-25-14-7-8-15-12(10-14)5-6-13(21-15)11-16-18(24)23-19(26-16)22-17-4-2-3-9-20-17/h2-11H,1H3,(H,20,22,23,24)/b16-11-
InChIKeyJTIGPNHPWOVEJV-WJDWOHSUSA-N
MW362.41 g/mol
LogP3.53
Rot. Bonds3

About (5Z)-5-[(6-methoxyquinolin-2-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one

(5Z)-5-[(6-methoxyquinolin-2-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 136892719) has the molecular formula C19H14N4O2S and a molecular weight of 362.41 g/mol. Its IUPAC name is (5Z)-5-[(6-methoxyquinolin-2-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(6-methoxyquinolin-2-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
PubChem CID136892719
Molecular FormulaC19H14N4O2S
Molecular Weight362.41 g/mol
Exact Mass362.08
IUPAC Name(5Z)-5-[(6-methoxyquinolin-2-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESCOc1ccc2nc(/C=C3\SC(=Nc4ccccn4)NC3=O)ccc2c1
InChIInChI=1S/C19H14N4O2S/c1-25-14-7-8-15-12(10-14)5-6-13(21-15)11-16-18(24)23-19(26-16)22-17-4-2-3-9-20-17/h2-11H,1H3,(H,20,22,23,24)/b16-11-
InChIKeyJTIGPNHPWOVEJV-WJDWOHSUSA-N
XLogP3.53
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_C(13)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135501918
(2E,5Z)-5-[(1-methylindol-3-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135956788
(5Z)-2-(2,5-dimethylphenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135834908
(5Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 161203025
(2E,5Z)-2-[(6-methoxy-1,3-benzothiazol-2-yl)imino]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 162663841
(5E)-2-(2-methylphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 135745036
2-[[(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 135522740
2-(2,4-dimethoxyphenyl)imino-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135482900
2-(2-fluorophenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135486755
5-[(2-bromophenyl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135502880
(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(3,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135500973
(5E)-5-[(3-methoxyphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
CID 136845043

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(6-methoxyquinolin-2-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(6-methoxyquinolin-2-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (CID 136892719) is (5Z)-5-[(6-methoxyquinolin-2-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(6-methoxyquinolin-2-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(6-methoxyquinolin-2-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is COc1ccc2nc(/C=C3\SC(=Nc4ccccn4)NC3=O)ccc2c1.
What is the InChIKey of (5Z)-5-[(6-methoxyquinolin-2-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The InChIKey is JTIGPNHPWOVEJV-WJDWOHSUSA-N. The full InChI is InChI=1S/C19H14N4O2S/c1-25-14-7-8-15-12(10-14)5-6-13(21-15)11-16-18(24)23-19(26-16)22-17-4-2-3-9-20-17/h2-11H,1H3,(H,20,22,23,24)/b16-11-.
What are the key properties of (5Z)-5-[(6-methoxyquinolin-2-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(6-methoxyquinolin-2-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 362.41 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(6-methoxyquinolin-2-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 136892719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).